(2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1(CCCCC1)N(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1(CCCCC1)N(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O2/c1-17(2)20(24-19(26)15-18-11-7-5-8-12-18)21(27)23-16-22(25(3)4)13-9-6-10-14-22/h5,7-8,11-12,17,20H,6,9-10,13-16H2,1-4H3,(H,23,27)(H,24,26)/t20-/m0/s1